tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate

C18H29N3O2 — CID 102541081

IUPACtert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1
InChIInChI=1S/C18H29N3O2/c1-6-13(2)21(17(22)23-18(3,4)5)16-14(9-7-12-20-16)15-10-8-11-19-15/h7,9,12-13,15,19H,6,8,10-11H2,1-5H3
InChIKeyUZFOCZRKEFAVNH-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate

tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate (PubChem CID 102541081) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
PubChem CID102541081
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1
InChIInChI=1S/C18H29N3O2/c1-6-13(2)21(17(22)23-18(3,4)5)16-14(9-7-12-20-16)15-10-8-11-19-15/h7,9,12-13,15,19H,6,8,10-11H2,1-5H3
InChIKeyUZFOCZRKEFAVNH-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541273
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl N-butan-2-yl-N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541084
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 124552679
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540973
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate (CID 102541081) is tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate is CCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1.
What is the InChIKey of tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The InChIKey is UZFOCZRKEFAVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-13(2)21(17(22)23-18(3,4)5)16-14(9-7-12-20-16)15-10-8-11-19-15/h7,9,12-13,15,19H,6,8,10-11H2,1-5H3.
What are the key properties of tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 102541081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).